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Compound Detail

CHEMBL4789119

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COc1ccc(COn2cc(CC(=O)Nc3ccccc3Cl)c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789119
Phase Preclinical
Structure Type MOL
InChI Key SSQHLYZGYHVBHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
5.11
ALogP
4
HBA
1
HBD
52.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClN2O3
MW 420.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
32004936 10.1016/j.ejmech.2020.112071 Human immunodeficiency virus 1 2
32004936 10.1016/j.ejmech.2020.112071 HEK-293T 1

Data from ChEMBL 36 via Core Engine